#------------------------------------------------------------------------------
#$Date: 2019-11-06 17:26:41 +0200 (Wed, 06 Nov 2019) $
#$Revision: 223416 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/05/89/7058988.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7058988
loop_
_publ_author_name
'Sukhikh, Taisiya S.'
'Kolybalov, Dmitry S.'
'Pylova, Ekaterina K.'
'Bashirov, Denis A.'
'Komarov, Vladislav Y.'
'Kuratieva, Natalia V.'
'Smolentsev, Anton I.'
'Fitch, Andrew N.'
'Konchenko, Sergey N.'
_publ_section_title
;
 A fresh look at the structural diversity of dibenzoylmethanide complexes
 of lanthanides
;
_journal_issue                   25
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              9934
_journal_paper_doi               10.1039/C9NJ02059D
_journal_volume                  43
_journal_year                    2019
_chemical_formula_moiety         'C62 H48 Cl4 K O8 Yb'
_chemical_formula_sum            'C62 H48 Cl4 K O8 Yb'
_chemical_formula_weight         1274.94
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_audit_creation_date             2018-11-27
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_audit_update_record
;
2019-04-18 deposited with the CCDC.	2019-05-30 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 108.7876(8)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   28.0739(8)
_cell_length_b                   7.8185(2)
_cell_length_c                   25.6588(7)
_cell_measurement_reflns_used    9909
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      29.59
_cell_measurement_theta_min      2.61
_cell_volume                     5331.9(3)
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0259
_diffrn_reflns_av_unetI/netI     0.0302
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.985
_diffrn_reflns_limit_h_max       38
_diffrn_reflns_limit_h_min       -34
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       35
_diffrn_reflns_limit_l_min       -35
_diffrn_reflns_number            22144
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.985
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.790
_diffrn_reflns_theta_min         1.532
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.090
_exptl_absorpt_correction_T_max  0.7459
_exptl_absorpt_correction_T_min  0.6219
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
'SADABS-2012/1 (Bruker,2012) was used for absorption correction. wR2(int) was 0.0504 before and 0.0339 after correction. The Ratio of minimum to maximum transmission is 0.8338. The λ/2 correction factor is 0.0015.'
_exptl_crystal_colour            'light yellow'
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.588
_exptl_crystal_description       prism
_exptl_crystal_F_000             2564
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.1
_refine_diff_density_max         1.060
_refine_diff_density_min         -1.170
_refine_diff_density_rms         0.097
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.086
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     344
_refine_ls_number_reflns         7506
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.086
_refine_ls_R_factor_all          0.0405
_refine_ls_R_factor_gt           0.0303
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0314P)²+14.9480P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0717
_refine_ls_wR_factor_ref         0.0759
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6201
_reflns_number_total             7506
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c9nj02059d2.cif
_cod_data_source_block           gi001
_cod_database_code               7058988
_shelx_shelxl_version_number     2017/1
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_max   0.818
_shelx_estimated_absorpt_t_min   0.554
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C1S(H1SA,H1SB)
2.b Aromatic/amide H refined with riding coordinates:
 C12(H12), C22(H22), C112(H112), C113(H113), C114(H114), C115(H115),
 C116(H116), C122(H122), C123(H123), C124(H124), C125(H125), C126(H126),
 C212(H212), C213(H213), C214(H214), C215(H215), C216(H216), C222(H222),
 C223(H223), C224(H224), C225(H225), C226(H226)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
Yb Yb 0.500000 0.74704(2) 0.750000 0.01404(5) Uani 1 2 d S T P
K1 K 0.500000 0.24449(12) 0.750000 0.0361(2) Uani 1 2 d S T P
O1 O 0.57189(7) 0.6140(2) 0.74010(7) 0.0221(4) Uani 1 1 d . . .
O2 O 0.47390(7) 0.5518(3) 0.67965(7) 0.0213(4) Uani 1 1 d . . .
O3 O 0.43166(7) 0.8805(2) 0.68414(7) 0.0209(4) Uani 1 1 d . . .
O4 O 0.53074(7) 0.9403(2) 0.70221(7) 0.0200(4) Uani 1 1 d . . .
C11 C 0.58082(10) 0.5663(3) 0.69703(10) 0.0178(5) Uani 1 1 d . . .
C12 C 0.54296(10) 0.5299(4) 0.64671(11) 0.0209(5) Uani 1 1 d . . .
H12 H 0.553033 0.505985 0.615490 0.025 Uiso 1 1 calc R . .
C13 C 0.49189(10) 0.5269(3) 0.64013(10) 0.0174(5) Uani 1 1 d . . .
C21 C 0.42619(10) 0.9507(3) 0.63862(10) 0.0171(5) Uani 1 1 d . . .
C22 C 0.46620(10) 0.9984(4) 0.61959(11) 0.0223(6) Uani 1 1 d . . .
H22 H 0.458391 1.044369 0.583537 0.027 Uiso 1 1 calc R . .
C23 C 0.51670(10) 0.9810(3) 0.65130(11) 0.0175(5) Uani 1 1 d . . .
C111 C 0.63437(10) 0.5550(3) 0.69887(11) 0.0198(5) Uani 1 1 d . . .
C112 C 0.64873(11) 0.4509(4) 0.66233(12) 0.0273(6) Uani 1 1 d . . .
H112 H 0.624373 0.381182 0.636909 0.033 Uiso 1 1 calc R . .
C113 C 0.69837(12) 0.4482(5) 0.66282(14) 0.0384(8) Uani 1 1 d . . .
H113 H 0.707698 0.376474 0.637824 0.046 Uiso 1 1 calc R . .
C114 C 0.73407(13) 0.5486(5) 0.69917(16) 0.0422(9) Uani 1 1 d . . .
H114 H 0.767711 0.549006 0.698521 0.051 Uiso 1 1 calc R . .
C115 C 0.72088(13) 0.6485(5) 0.73652(17) 0.0437(9) Uani 1 1 d . . .
H115 H 0.745753 0.715304 0.762390 0.052 Uiso 1 1 calc R . .
C116 C 0.67111(12) 0.6524(4) 0.73666(13) 0.0319(7) Uani 1 1 d . . .
H116 H 0.662339 0.721621 0.762607 0.038 Uiso 1 1 calc R . .
C121 C 0.45455(10) 0.4979(3) 0.58422(11) 0.0182(5) Uani 1 1 d . . .
C122 C 0.40617(10) 0.5640(4) 0.57335(12) 0.0252(6) Uani 1 1 d . . .
H122 H 0.397616 0.621730 0.601676 0.030 Uiso 1 1 calc R . .
C123 C 0.37048(12) 0.5466(4) 0.52190(14) 0.0356(7) Uani 1 1 d . . .
H123 H 0.338094 0.596176 0.514624 0.043 Uiso 1 1 calc R . .
C124 C 0.38201(13) 0.4567(5) 0.48102(13) 0.0389(8) Uani 1 1 d . . .
H124 H 0.357192 0.441141 0.446061 0.047 Uiso 1 1 calc R . .
C125 C 0.42974(13) 0.3898(4) 0.49121(12) 0.0336(7) Uani 1 1 d . . .
H125 H 0.437633 0.328131 0.463151 0.040 Uiso 1 1 calc R . .
C126 C 0.46616(12) 0.4121(4) 0.54216(11) 0.0247(6) Uani 1 1 d . . .
H126 H 0.499160 0.368810 0.548457 0.030 Uiso 1 1 calc R . .
C211 C 0.37327(9) 0.9768(3) 0.60105(10) 0.0172(5) Uani 1 1 d . . .
C212 C 0.33487(11) 0.8791(4) 0.60917(12) 0.0247(6) Uani 1 1 d . . .
H212 H 0.342068 0.804045 0.639858 0.030 Uiso 1 1 calc R . .
C213 C 0.28613(11) 0.8901(4) 0.57288(13) 0.0307(7) Uani 1 1 d . . .
H213 H 0.260383 0.820183 0.578166 0.037 Uiso 1 1 calc R . .
C214 C 0.27501(11) 1.0028(4) 0.52900(14) 0.0312(7) Uani 1 1 d . . .
H214 H 0.241674 1.009763 0.504066 0.037 Uiso 1 1 calc R . .
C215 C 0.31231(11) 1.1049(4) 0.52144(12) 0.0261(6) Uani 1 1 d . . .
H215 H 0.304432 1.184679 0.491955 0.031 Uiso 1 1 calc R . .
C216 C 0.36144(10) 1.0913(3) 0.55692(11) 0.0205(5) Uani 1 1 d . . .
H216 H 0.387121 1.160280 0.551119 0.025 Uiso 1 1 calc R . .
C221 C 0.55810(10) 1.0109(3) 0.62704(11) 0.0191(5) Uani 1 1 d . . .
C222 C 0.54895(11) 1.0547(4) 0.57162(11) 0.0251(6) Uani 1 1 d . . .
H222 H 0.515343 1.069053 0.547942 0.030 Uiso 1 1 calc R . .
C223 C 0.58875(12) 1.0771(4) 0.55115(13) 0.0313(7) Uani 1 1 d . . .
H223 H 0.582297 1.109738 0.513842 0.038 Uiso 1 1 calc R . .
C224 C 0.63778(12) 1.0521(4) 0.58505(14) 0.0338(7) Uani 1 1 d . . .
H224 H 0.664913 1.067717 0.570984 0.041 Uiso 1 1 calc R . .
C225 C 0.64725(12) 1.0044(4) 0.63928(15) 0.0348(7) Uani 1 1 d . . .
H225 H 0.680800 0.983703 0.662220 0.042 Uiso 1 1 calc R . .
C226 C 0.60746(11) 0.9865(4) 0.66030(13) 0.0258(6) Uani 1 1 d . . .
H226 H 0.614279 0.957289 0.697935 0.031 Uiso 1 1 calc R . .
Cl1S Cl 0.37071(4) 0.22238(11) 0.71393(4) 0.0447(2) Uani 1 1 d . . .
Cl2S Cl 0.28849(4) 0.40527(16) 0.63411(5) 0.0625(3) Uani 1 1 d . . .
C1S C 0.35426(14) 0.3828(5) 0.66363(15) 0.0413(8) Uani 1 1 d . . .
H1SA H 0.368875 0.355112 0.634312 0.050 Uiso 1 1 calc R . .
H1SB H 0.368802 0.492884 0.680424 0.050 Uiso 1 1 calc R . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
K K 0.2009 0.2494 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Yb Yb -0.3850 5.5486 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
K1 Yb K1 180.0 1_565 .
O1 Yb K1 116.19(5) . 1_565
O1 Yb K1 116.19(5) 2_656 1_565
O1 Yb K1 63.81(5) 2_656 .
O1 Yb K1 63.81(5) . .
O1 Yb O1 127.61(10) . 2_656
O2 Yb K1 131.67(5) 2_656 1_565
O2 Yb K1 131.67(5) . 1_565
O2 Yb K1 48.33(5) . .
O2 Yb K1 48.33(5) 2_656 .
O2 Yb O1 73.97(6) 2_656 .
O2 Yb O1 71.90(7) . .
O2 Yb O1 73.97(7) . 2_656
O2 Yb O1 71.90(7) 2_656 2_656
O2 Yb O2 96.67(10) . 2_656
O2 Yb O3 75.55(7) . .
O2 Yb O3 147.06(7) 2_656 .
O2 Yb O3 75.55(7) 2_656 2_656
O2 Yb O3 147.06(7) . 2_656
O3 Yb K1 63.67(5) . 1_565
O3 Yb K1 63.67(5) 2_656 1_565
O3 Yb K1 116.33(5) . .
O3 Yb K1 116.33(5) 2_656 .
O3 Yb O1 130.31(6) 2_656 2_656
O3 Yb O1 75.20(6) . 2_656
O3 Yb O1 130.31(6) . .
O3 Yb O1 75.20(6) 2_656 .
O3 Yb O3 127.35(10) 2_656 .
O4 Yb K1 131.44(5) 2_656 .
O4 Yb K1 131.44(5) . .
O4 Yb K1 48.56(5) . 1_565
O4 Yb K1 48.56(5) 2_656 1_565
O4 Yb O1 75.47(7) 2_656 2_656
O4 Yb O1 75.47(7) . .
O4 Yb O1 146.64(7) . 2_656
O4 Yb O1 146.64(7) 2_656 .
O4 Yb O2 95.62(7) 2_656 2_656
O4 Yb O2 95.62(7) . .
O4 Yb O2 141.44(7) 2_656 .
O4 Yb O2 141.44(7) . 2_656
O4 Yb O3 71.49(6) . .
O4 Yb O3 74.36(6) 2_656 .
O4 Yb O3 74.36(6) . 2_656
O4 Yb O3 71.49(6) 2_656 2_656
O4 Yb O4 97.13(10) . 2_656
Yb K1 Yb 180.0 1_545 .
O2 K1 Yb 35.53(4) 2_656 .
O2 K1 Yb 144.47(4) 2_656 1_545
O2 K1 Yb 144.47(4) . 1_545
O2 K1 Yb 35.53(4) . .
O2 K1 O2 71.07(7) . 2_656
O2 K1 C13 20.48(5) . .
O2 K1 C13 85.34(6) 2_656 .
O2 K1 C13 20.48(5) 2_656 2_656
O2 K1 C13 85.34(6) . 2_656
O2 K1 C23 95.96(5) . 1_545
O2 K1 C23 151.50(6) . 2_646
O2 K1 C23 95.96(5) 2_656 2_646
O2 K1 C23 151.50(6) 2_656 1_545
O2 K1 Cl1S 103.73(4) . 2_656
O2 K1 Cl1S 81.04(4) 2_656 2_656
O2 K1 Cl1S 81.04(4) . .
O2 K1 Cl1S 103.73(4) 2_656 .
O4 K1 Yb 35.74(4) 2_646 1_545
O4 K1 Yb 144.26(4) 1_545 .
O4 K1 Yb 144.26(4) 2_646 .
O4 K1 Yb 35.74(4) 1_545 1_545
O4 K1 O2 150.21(5) 1_545 2_656
O4 K1 O2 116.95(5) 1_545 .
O4 K1 O2 116.95(5) 2_646 2_656
O4 K1 O2 150.21(5) 2_646 .
O4 K1 O4 71.49(7) 1_545 2_646
O4 K1 C13 97.20(5) 2_646 2_656
O4 K1 C13 152.86(6) 2_646 .
O4 K1 C13 152.86(6) 1_545 2_656
O4 K1 C13 97.20(5) 1_545 .
O4 K1 C23 21.56(5) 1_545 1_545
O4 K1 C23 87.13(6) 2_646 1_545
O4 K1 C23 87.13(6) 1_545 2_646
O4 K1 C23 21.56(5) 2_646 2_646
O4 K1 Cl1S 69.23(4) 1_545 2_656
O4 K1 Cl1S 105.86(4) 1_545 .
O4 K1 Cl1S 69.23(4) 2_646 .
O4 K1 Cl1S 105.86(4) 2_646 2_656
C13 K1 Yb 51.28(4) . .
C13 K1 Yb 128.72(4) . 1_545
C13 K1 Yb 128.72(4) 2_656 1_545
C13 K1 Yb 51.28(4) 2_656 .
C13 K1 C13 102.57(8) . 2_656
C23 K1 Yb 127.14(4) 2_646 .
C23 K1 Yb 52.86(4) 1_545 1_545
C23 K1 Yb 127.14(4) 1_545 .
C23 K1 Yb 52.86(4) 2_646 1_545
C23 K1 C13 76.93(6) 1_545 .
C23 K1 C13 76.93(6) 2_646 2_656
C23 K1 C13 168.95(6) 2_646 .
C23 K1 C13 168.95(6) 1_545 2_656
C23 K1 C23 105.71(9) 1_545 2_646
C23 K1 Cl1S 77.56(5) 1_545 2_656
C23 K1 Cl1S 98.91(5) 1_545 .
C23 K1 Cl1S 98.91(5) 2_646 2_656
C23 K1 Cl1S 77.56(5) 2_646 .
Cl1S K1 Yb 87.13(2) . 1_545
Cl1S K1 Yb 92.87(2) 2_656 .
Cl1S K1 Yb 87.13(2) 2_656 1_545
Cl1S K1 Yb 92.87(2) . .
Cl1S K1 C13 92.14(5) 2_656 .
Cl1S K1 C13 91.46(5) 2_656 2_656
Cl1S K1 C13 92.13(5) . 2_656
Cl1S K1 C13 91.46(5) . .
Cl1S K1 Cl1S 174.26(4) 2_656 .
C11 O1 Yb 129.92(16) . .
Yb O2 K1 96.13(6) . .
C13 O2 Yb 127.88(17) . .
C13 O2 K1 106.02(16) . .
C21 O3 Yb 133.61(17) . .
Yb O4 K1 95.69(6) . 1_565
C23 O4 Yb 131.95(17) . .
C23 O4 K1 100.97(15) . 1_565
O1 C11 C12 123.7(2) . .
O1 C11 C111 118.1(2) . .
C12 C11 C111 118.1(2) . .
C13 C12 C11 123.9(2) . .
O2 C13 K1 53.50(13) . .
O2 C13 C12 123.7(2) . .
O2 C13 C121 116.6(2) . .
C12 C13 K1 96.61(16) . .
C12 C13 C121 119.7(2) . .
C121 C13 K1 121.07(16) . .
O3 C21 C22 124.4(2) . .
O3 C21 C211 117.1(2) . .
C22 C21 C211 118.4(2) . .
C23 C22 C21 123.0(2) . .
O4 C23 K1 57.47(13) . 1_565
O4 C23 C22 122.8(2) . .
O4 C23 C221 115.9(2) . .
C22 C23 K1 90.99(17) . 1_565
C22 C23 C221 121.3(2) . .
C221 C23 K1 121.52(16) . 1_565
C112 C111 C11 121.3(2) . .
C116 C111 C11 120.2(3) . .
C116 C111 C112 118.5(3) . .
C113 C112 C111 120.5(3) . .
C114 C113 C112 120.5(3) . .
C113 C114 C115 119.7(3) . .
C114 C115 C116 120.5(3) . .
C111 C116 C115 120.2(3) . .
C122 C121 C13 118.2(2) . .
C122 C121 C126 118.6(3) . .
C126 C121 C13 123.2(2) . .
C123 C122 C121 120.9(3) . .
C122 C123 C124 119.9(3) . .
C125 C124 C123 119.8(3) . .
C124 C125 C126 120.4(3) . .
C125 C126 C121 120.3(3) . .
C212 C211 C21 118.9(2) . .
C212 C211 C216 118.7(2) . .
C216 C211 C21 122.4(2) . .
C213 C212 C211 120.7(3) . .
C214 C213 C212 120.0(3) . .
C215 C214 C213 120.0(3) . .
C214 C215 C216 120.1(3) . .
C215 C216 C211 120.5(3) . .
C222 C221 C23 123.0(3) . .
C226 C221 C23 118.5(2) . .
C226 C221 C222 118.5(3) . .
C223 C222 C221 120.4(3) . .
C224 C223 C222 120.1(3) . .
C225 C224 C223 120.1(3) . .
C224 C225 C226 119.9(3) . .
C221 C226 C225 120.9(3) . .
C1S Cl1S K1 99.60(13) . .
Cl1S C1S Cl2S 112.3(2) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Yb K1 3.9292(10) .
Yb K1 3.8893(10) 1_565
Yb O1 2.3558(19) 2_656
Yb O1 2.3557(19) .
Yb O2 2.2967(18) 2_656
Yb O2 2.2967(18) .
Yb O3 2.3531(18) .
Yb O3 2.3530(18) 2_656
Yb O4 2.2832(18) .
Yb O4 2.2832(18) 2_656
K1 O2 2.952(2) 2_656
K1 O2 2.952(2) .
K1 O4 2.930(2) 1_545
K1 O4 2.930(2) 2_646
K1 C13 3.530(3) .
K1 C13 3.530(3) 2_656
K1 C23 3.412(3) 1_545
K1 C23 3.412(3) 2_646
K1 Cl1S 3.4492(11) 2_656
K1 Cl1S 3.4493(11) .
O1 C11 1.266(3) .
O2 C13 1.285(3) .
O3 C21 1.254(3) .
O4 C23 1.277(3) .
C11 C12 1.412(4) .
C11 C111 1.492(4) .
C12 C13 1.389(4) .
C13 C121 1.497(4) .
C21 C22 1.411(4) .
C21 C211 1.502(3) .
C22 C23 1.396(4) .
C23 C221 1.503(4) .
C111 C112 1.396(4) .
C111 C116 1.392(4) .
C112 C113 1.390(4) .
C113 C114 1.374(5) .
C114 C115 1.377(6) .
C115 C116 1.399(5) .
C121 C122 1.395(4) .
C121 C126 1.396(4) .
C122 C123 1.383(4) .
C123 C124 1.384(5) .
C124 C125 1.383(5) .
C125 C126 1.387(4) .
C211 C212 1.391(4) .
C211 C216 1.397(4) .
C212 C213 1.388(4) .
C213 C214 1.384(5) .
C214 C215 1.380(4) .
C215 C216 1.390(4) .
C221 C222 1.404(4) .
C221 C226 1.387(4) .
C222 C223 1.390(4) .
C223 C224 1.385(5) .
C224 C225 1.381(5) .
C225 C226 1.395(4) .
Cl1S C1S 1.751(4) .
Cl2S C1S 1.764(4) .
